Compound Detail
CHEMBL3115421
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Basic Information
| ChEMBL ID | CHEMBL3115421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMYHNLDGMJSHFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.8
MW (Da)
5.04
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.13 | 4.13 | 73410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 73410.0 | nM | 4.13 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv after 7 days by ... | 24412719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412719 | 10.1016/j.ejmech.2013.12.013 | Mycobacterium tuberculosis | 17 |
| 24412719 | 10.1016/j.ejmech.2013.12.013 | J774 | 3 |
Data from ChEMBL 36 via Core Engine